N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide

C13H16Br3N3O — CID 46501976

IUPACN-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1cc(Br)c(Br)cc1Br)C(C)C
InChIInChI=1S/C13H16Br3N3O/c1-7(2)8(3)18-19-13(20)6-17-12-5-10(15)9(14)4-11(12)16/h4-5,7,17H,6H2,1-3H3,(H,19,20)/b18-8+
InChIKeyYOXZEQWPACQRED-QGMBQPNBSA-N
MW470.00 g/mol
LogP4.53
Rot. Bonds5

About N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide

N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide (PubChem CID 46501976) has the molecular formula C13H16Br3N3O and a molecular weight of 470.00 g/mol. Its IUPAC name is N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide
PubChem CID46501976
Molecular FormulaC13H16Br3N3O
Molecular Weight470.00 g/mol
Exact Mass466.88
IUPAC NameN-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1cc(Br)c(Br)cc1Br)C(C)C
InChIInChI=1S/C13H16Br3N3O/c1-7(2)8(3)18-19-13(20)6-17-12-5-10(15)9(14)4-11(12)16/h4-5,7,17H,6H2,1-3H3,(H,19,20)/b18-8+
InChIKeyYOXZEQWPACQRED-QGMBQPNBSA-N
XLogP4.53
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-N'-[(Z)-3-methylbutan-2-ylideneamino]propanediamide
CID 92652581
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
CID 135420016
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 4037059
N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
CID 5015504
2-(2,4-dibromoanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 46502237
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 102847113
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 7228655
N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685147
N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
CID 6005441

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The IUPAC name of N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide (CID 46501976) is N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide.
What is the SMILES notation for N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The canonical SMILES for N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide is C/C(=N\NC(=O)CNc1cc(Br)c(Br)cc1Br)C(C)C.
What is the InChIKey of N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The InChIKey is YOXZEQWPACQRED-QGMBQPNBSA-N. The full InChI is InChI=1S/C13H16Br3N3O/c1-7(2)8(3)18-19-13(20)6-17-12-5-10(15)9(14)4-11(12)16/h4-5,7,17H,6H2,1-3H3,(H,19,20)/b18-8+.
What are the key properties of N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide has a molecular weight of 470.00 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-tribromoanilino)acetamide is sourced from PubChem (CID 46501976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).